N-(2-methoxy-5-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C3=CC=CC=C3OC2=S

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C17H15N3O5S/c1-24-14-7-6-11(20(22)23)10-12(14)18-16(21)8-9-19-13-4-2-3-5-15(13)25-17(19)26/h2-7,10H,8-9H2,1H3,(H,18,21)